| SpectraBase Compound ID | KVmIqUmZ6Sd |
|---|---|
| InChI | InChI=1S/C35H48N2O9/c1-7-37-16-32(17-44-30(39)20-10-8-9-11-23(20)36-19(2)38)13-12-25(41-4)34-22-14-21-24(40-3)15-33(26(22)27(21)42-5)35(31(34)37,46-18-45-33)29(43-6)28(32)34/h8-11,21-22,24-29,31H,7,12-18H2,1-6H3,(H,36,38)/t21-,22?,24+,25+,26?,27+,28?,29+,31+,32+,33-,34+,35-/m1/s1 |
| InChIKey | TUMMIWJIHYIVMV-RUFNYTAQSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C35H48N2O9 |
| Exact Mass | 640.335981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7o5Zom2Q8a3 |
|---|---|
| Name | METHYLENEDIOXY-AJACINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48N2O9 |
| InChI | InChI=1S/C35H48N2O9/c1-7-37-16-32(17-44-30(39)20-10-8-9-11-23(20)36-19(2)38)13-12-25(41-4)34-22-14-21-24(40-3)15-33(26(22)27(21)42-5)35(31(34)37,46-18-45-33)29(43-6)28(32)34/h8-11,21-22,24-29,31H,7,12-18H2,1-6H3,(H,36,38)/t21-,22?,24+,25+,26?,27+,28?,29+,31+,32+,33-,34+,35-/m1/s1 |
| InChIKey | TUMMIWJIHYIVMV-RUFNYTAQSA-N |
| Literature Reference Author | S.W.PELLETIER,H.K.DESAI,P.KULANTHAIVEL,B.S.JOSHI |
| Literature Reference Citation | HETEROCYCLES,26,2835(1987) |
| Literature Reference DOI | 10.3987/R-1987-11-2835 |
| Molecular Weight | 640.774 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED8113 |